ethane;2-fluoro-3-methylbenzoic acid

C10H13FO2 — CID 145191844

IUPACethane;2-fluoro-3-methylbenzoic acid
SMILESCC.Cc1cccc(C(=O)O)c1F
InChIInChI=1S/C8H7FO2.C2H6/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyNSCUCTXBYLWQDY-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.86
Rot. Bonds1

About ethane;2-fluoro-3-methylbenzoic acid

ethane;2-fluoro-3-methylbenzoic acid (PubChem CID 145191844) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is ethane;2-fluoro-3-methylbenzoic acid.

Molecular Properties

Compound Nameethane;2-fluoro-3-methylbenzoic acid
PubChem CID145191844
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Nameethane;2-fluoro-3-methylbenzoic acid
SMILESCC.Cc1cccc(C(=O)O)c1F
InChIInChI=1S/C8H7FO2.C2H6/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4H,1H3,(H,10,11);1-2H3
InChIKeyNSCUCTXBYLWQDY-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-acetyl-2-fluorobenzoic acid
CID 83410719
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
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bis(2-methylbenzoic acid);hydrate
CID 69398343
3-carbamoyl-2-fluorobenzoic acid
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2-fluoro-3,4-dimethylbenzoic acid
CID 58240541
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
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ethane;2-fluorobenzoic acid
CID 91182768
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CID 154833021
3-(2-chloro-4,5-dimethylphenyl)-2-fluorobenzoic acid
CID 107957755
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CID 167562654

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-3-methylbenzoic acid?
The IUPAC name of ethane;2-fluoro-3-methylbenzoic acid (CID 145191844) is ethane;2-fluoro-3-methylbenzoic acid.
What is the SMILES notation for ethane;2-fluoro-3-methylbenzoic acid?
The canonical SMILES for ethane;2-fluoro-3-methylbenzoic acid is CC.Cc1cccc(C(=O)O)c1F.
What is the InChIKey of ethane;2-fluoro-3-methylbenzoic acid?
The InChIKey is NSCUCTXBYLWQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2.C2H6/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4H,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-fluoro-3-methylbenzoic acid?
ethane;2-fluoro-3-methylbenzoic acid has a molecular weight of 184.21 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-3-methylbenzoic acid is sourced from PubChem (CID 145191844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).